Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ur7_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 105.A OD1 no hydrogen 3.180 N/A ASP 2.A N GLN 5.A OE1 no hydrogen 2.881 N/A GLN 5.A N ASP 2.A O no hydrogen 2.926 N/A GLN 5.A N ASP 2.A OD1 no hydrogen 2.841 N/A ILE 6.A N ASP 2.A O no hydrogen 3.136 N/A LYS 7.A N PRO 3.A O no hydrogen 2.909 N/A LYS 7.A NZ ASP 184.A O no hydrogen 2.896 N/A LYS 7.A NZ ARG 185.A O no hydrogen 3.035 N/A THR 8.A N GLU 4.A O no hydrogen 3.037 N/A THR 8.A OG1 GLU 4.A O no hydrogen 3.139 N/A ALA 9.A N GLN 5.A O no hydrogen 3.086 N/A LEU 10.A N ILE 6.A O no hydrogen 2.951 N/A GLY 11.A N THR 8.A O no hydrogen 3.120 N/A SER 12.A N ALA 9.A O no hydrogen 3.076 N/A SER 12.A OG.A ALA 9.A O no hydrogen 2.681 N/A SER 12.A OG.B THR 8.A O no hydrogen 2.887 N/A LEU 15.A N TYR 210.A O no hydrogen 3.267 N/A SER 16.A N VAL 47.A O no hydrogen 3.061 N/A VAL 19.A N ASN 216.A OD1 no hydrogen 2.989 N/A THR 20.A OG1 GLY 55.A O no hydrogen 2.696 N/A HIS 21.A ND1 SER 32.A OG no hydrogen 2.707 N/A HIS 21.A NE2 HIS 36.A ND1 no hydrogen 2.938 N/A PHE 22.A N ALA 274.A O no hydrogen 2.858 N/A ASP 23.A N ARG 27.A O no hydrogen 2.788 N/A GLU 25.A N ASP 23.A OD1 no hydrogen 2.954 N/A GLY 26.A N ASP 23.A O no hydrogen 2.912 N/A ARG 27.A N ASP 23.A OD1 no hydrogen 2.848 N/A ARG 27.A NE ASP 23.A OD2 no hydrogen 2.846 N/A ARG 27.A NH2 ASP 23.A OD2 no hydrogen 3.239 N/A ARG 27.A NH2 GLU 25.A OE1 no hydrogen 3.024 N/A ALA 29.A N HIS 21.A O no hydrogen 2.936 N/A SER 32.A N ASP 31.A OD1 no hydrogen 2.778 N/A SER 32.A OG HIS 21.A ND1 no hydrogen 2.707 N/A TYR 33.A N ALA 29.A O no hydrogen 3.004 N/A ARG 34.A N ALA 30.A O no hydrogen 2.885 N/A GLU 35.A N ASP 31.A O no hydrogen 3.073 N/A HIS 36.A N SER 32.A O no hydrogen 3.086 N/A HIS 36.A ND1 HIS 21.A NE2 no hydrogen 2.938 N/A HIS 36.A NE2 ASN 216.A O no hydrogen 2.891 N/A VAL 37.A N TYR 33.A O no hydrogen 2.896 N/A GLU 38.A N ARG 34.A O no hydrogen 2.802 N/A TRP 39.A N GLU 35.A O no hydrogen 3.031 N/A LEU 40.A N HIS 36.A O no hydrogen 2.908 N/A ALA 41.A N VAL 37.A O no hydrogen 2.978 N/A ALA 41.A N GLU 38.A O no hydrogen 3.257 N/A GLY 42.A N TRP 39.A O no hydrogen 3.282 N/A TYR 43.A N LEU 40.A O no hydrogen 2.924 N/A LYS 44.A N ALA 41.A O no hydrogen 3.132 N/A LEU 48.A N ALA 80.A O no hydrogen 2.851 N/A PHE 49.A N SER 16.A O no hydrogen 2.772 N/A ALA 50.A N VAL 82.A O no hydrogen 2.749 N/A GLU 56.A N GLY 53.A O no hydrogen 2.874 N/A PHE 57.A N GLY 52.A O no hydrogen 2.921 N/A SER 59.A N GLU 56.A O no hydrogen 2.882 N/A LEU 60.A N PHE 57.A O no hydrogen 3.090 N/A LYS 61.A N GLU 64.A OE1 no hydrogen 2.825 N/A GLU 64.A N LYS 61.A O no hydrogen 2.858 N/A ILE 65.A N PRO 62.A O no hydrogen 3.181 N/A ILE 68.A N GLU 64.A O no hydrogen 3.123 N/A VAL 69.A N ILE 65.A O no hydrogen 2.978 N/A ALA 70.A N PRO 66.A O no hydrogen 2.857 N/A ALA 71.A N THR 67.A O no hydrogen 2.982 N/A ALA 72.A N ILE 68.A O no hydrogen 3.035 N/A LYS 73.A N VAL 69.A O no hydrogen 2.961 N/A LYS 73.A NZ GLY 103.A O no hydrogen 3.202 N/A GLU 74.A N ALA 70.A O no hydrogen 3.123 N/A GLU 74.A N ALA 71.A O no hydrogen 3.241 N/A VAL 75.A N ALA 72.A O no hydrogen 3.125 N/A THR 79.A OG1 ALA 76.A O no hydrogen 2.708 N/A ALA 80.A N PRO 46.A O no hydrogen 3.129 N/A ILE 81.A N ASP 105.A OD2 no hydrogen 2.895 N/A VAL 82.A N LEU 48.A O no hydrogen 2.820 N/A SER 83.A N GLY 106.A O no hydrogen 2.934 N/A SER 83.A OG GLY 84.A O no hydrogen 2.884 N/A GLY 84.A N ALA 50.A O no hydrogen 2.993 N/A CYS 85.A N LEU 108.A O no hydrogen 2.932 N/A CYS 85.A SG ALA 92.A O no hydrogen 3.234 N/A TYR 87.A N PRO 111.A O no hydrogen 3.314 N/A THR 89.A OG1 HIS 125.A ND1 no hydrogen 2.717 N/A ALA 92.A N GLY 88.A O no hydrogen 2.854 N/A VAL 93.A N THR 89.A O no hydrogen 2.872 N/A ASP 94.A N GLU 90.A O no hydrogen 3.465 N/A ILE 95.A N ILE 91.A O no hydrogen 2.932 N/A ALA 96.A N ALA 92.A O no hydrogen 2.827 N/A ARG 97.A N VAL 93.A O no hydrogen 2.951 N/A ARG 97.A NE SER 132.A O no hydrogen 3.004 N/A SER 98.A N ASP 94.A O no hydrogen 3.011 N/A SER 98.A OG ASP 94.A O no hydrogen 3.495 N/A SER 98.A OG ILE 95.A O no hydrogen 2.766 N/A VAL 99.A N ILE 95.A O no hydrogen 3.004 N/A GLU 100.A N ALA 96.A O no hydrogen 3.021 N/A LYS 101.A N ARG 97.A O no hydrogen 3.045 N/A VAL 102.A N VAL 99.A O no hydrogen 3.275 N/A GLY 103.A N GLU 100.A O no hydrogen 3.066 N/A ALA 104.A N VAL 99.A O no hydrogen 2.980 N/A ASP 105.A N ILE 81.A O no hydrogen 2.715 N/A ILE 107.A N GLY 136.A O no hydrogen 2.871 N/A LEU 108.A N SER 83.A O no hydrogen 2.821 N/A LEU 109.A N MET 138.A O no hydrogen 2.880 N/A LEU 110.A N CYS 85.A O no hydrogen 2.822 N/A HIS 112.A NE2 ILE 115.A O no hydrogen 2.814 N/A ILE 115.A N TYR 113.A O no hydrogen 2.854 N/A GLN 119.A NE2 VAL 146.A O no hydrogen 2.926 N/A GLU 120.A N GLU 120.A OE1 no hydrogen 2.811 N/A GLY 121.A N PRO 118.A O no hydrogen 2.934 N/A LEU 122.A N PRO 118.A O no hydrogen 3.000 N/A TYR 123.A N GLN 119.A O no hydrogen 2.905 N/A TYR 123.A OH GLU 158.A OE1 no hydrogen 2.089 N/A TYR 123.A OH GLU 158.A OE2 no hydrogen 3.042 N/A ALA 124.A N GLU 120.A O no hydrogen 3.103 N/A HIS 125.A N GLY 121.A O no hydrogen 2.981 N/A HIS 125.A ND1 THR 89.A OG1 no hydrogen 2.717 N/A ILE 126.A N LEU 122.A O no hydrogen 2.903 N/A LYS 127.A N TYR 123.A O no hydrogen 2.905 N/A LYS 128.A N ALA 124.A O no hydrogen 3.158 N/A VAL 129.A N HIS 125.A O no hydrogen 3.130 N/A CYS 130.A N ILE 126.A O no hydrogen 2.901 N/A CYS 130.A SG ILE 126.A O no hydrogen 3.433 N/A GLN 131.A N LYS 127.A O no hydrogen 2.920 N/A SER 132.A N VAL 129.A O no hydrogen 3.110 N/A SER 132.A OG VAL 129.A O no hydrogen 2.731 N/A GLY 134.A N GLU 100.A OE2 no hydrogen 2.794 N/A VAL 137.A N ASN 161.A O no hydrogen 2.824 N/A MET 138.A N ILE 107.A O no hydrogen 2.870 N/A VAL 139.A N GLY 164.A O no hydrogen 2.978 N/A ASN 141.A N LYS 166.A O.B no hydrogen 2.855 N/A ASN 141.A ND2 LEU 147.A O no hydrogen 3.095 N/A ARG 142.A N SER 145.A O no hydrogen 3.012 N/A ARG 142.A NE ASP 143.A OD2 no hydrogen 2.744 N/A ARG 142.A NH2 ASP 143.A OD2 no hydrogen 3.373 N/A ASN 144.A N ASN 144.A OD1 no hydrogen 2.659 N/A ASN 144.A ND2 HIS 112.A O no hydrogen 3.095 N/A ASN 144.A ND2 ILE 115.A O no hydrogen 3.056 N/A SER 145.A N ARG 142.A O no hydrogen 2.908 N/A LEU 147.A N ASN 141.A OD1 no hydrogen 2.793 N/A GLN 148.A N GLN 119.A OE1 no hydrogen 2.960 N/A THR 151.A OG1 GLN 119.A OE1 no hydrogen 2.698 N/A THR 151.A OG1 ASP 150.A OD1 no hydrogen 3.364 N/A LEU 152.A N GLN 148.A O no hydrogen 3.034 N/A ALA 153.A N ALA 149.A O no hydrogen 2.938 N/A ARG 154.A N ASP 150.A O no hydrogen 3.098 N/A LEU 155.A N THR 151.A O no hydrogen 3.074 N/A CYS 156.A N LEU 152.A O no hydrogen 2.898 N/A CYS 156.A SG LEU 152.A O no hydrogen 3.393 N/A ASP 157.A N ALA 153.A O no hydrogen 3.016 N/A GLU 158.A N ARG 154.A O no hydrogen 3.155 N/A GLU 158.A N LEU 155.A O no hydrogen 3.234 N/A CYS 159.A N LEU 155.A O no hydrogen 2.816 N/A ASN 161.A ND2 CYS 130.A O no hydrogen 2.929 N/A ASN 161.A ND2 ILE 135.A O no hydrogen 3.036 N/A LEU 162.A N CYS 159.A O no hydrogen 3.029 N/A VAL 163.A N VAL 137.A O no hydrogen 2.920 N/A GLY 164.A N VAL 137.A O no hydrogen 3.316 N/A PHE 165.A N MET 187.A O no hydrogen 2.880 N/A LYS 166.A N.B VAL 139.A O no hydrogen 2.785 N/A LYS 166.A NZ.B GLY 190.A O no hydrogen 3.044 N/A LYS 166.A NZ.B SER 211.A OG.A no hydrogen 2.864 N/A ASP 167.A N LEU 189.A O no hydrogen 3.000 N/A GLY 168.A N ASN 141.A O no hydrogen 2.733 N/A THR 169.A N ASP 167.A OD1 no hydrogen 3.134 N/A THR 169.A OG1 ASP 167.A OD1 no hydrogen 2.701 N/A THR 169.A OG1 ASP 167.A OD2 no hydrogen 3.442 N/A GLY 170.A N ASP 167.A OD2 no hydrogen 3.022 N/A ASP 171.A N THR 169.A OG1 no hydrogen 3.000 N/A LEU 174.A N ASP 171.A OD1 no hydrogen 3.177 N/A VAL 175.A N ASP 171.A O no hydrogen 3.026 N/A ARG 176.A N ILE 172.A O no hydrogen 3.118 N/A ARG 176.A NH1 ARG 176.A O no hydrogen 3.314 N/A ARG 176.A NH1 THR 179.A OG1 no hydrogen 3.075 N/A GLN 177.A N GLY 173.A O no hydrogen 3.356 N/A ILE 178.A N LEU 174.A O no hydrogen 2.978 N/A THR 179.A N VAL 175.A O no hydrogen 2.975 N/A THR 179.A OG1 ARG 176.A O no hydrogen 3.127 N/A THR 179.A OG1 ALA 205.A O no hydrogen 2.807 N/A ALA 180.A N ARG 176.A O no hydrogen 2.982 N/A LYS 181.A N GLN 177.A O no hydrogen 2.950 N/A MET 182.A N ILE 178.A O no hydrogen 2.942 N/A GLY 183.A N THR 179.A O no hydrogen 2.840 N/A ARG 185.A N MET 182.A O no hydrogen 3.135 N/A ARG 185.A NH1 LEU 162.A O no hydrogen 2.744 N/A ARG 185.A NH1 ARG 185.A O no hydrogen 2.897 N/A ARG 185.A NH2 CYS 156.A O no hydrogen 2.897 N/A ARG 185.A NH2 LEU 162.A O no hydrogen 3.102 N/A MET 187.A N VAL 163.A O no hydrogen 2.973 N/A TYR 188.A OH GLY 183.A O no hydrogen 2.689 N/A LEU 189.A N PHE 165.A O no hydrogen 2.799 N/A GLY 190.A N THR 209.A O no hydrogen 2.870 N/A GLU 196.A N GLU 196.A OE1 no hydrogen 2.838 N/A LEU 197.A N THR 194.A O no hydrogen 3.130 N/A PHE 198.A N ALA 195.A O no hydrogen 2.925 N/A ALA 199.A N GLU 196.A O no hydrogen 3.429 N/A TYR 202.A N PHE 198.A O no hydrogen 2.892 N/A TYR 202.A OH ASP 167.A OD2 no hydrogen 2.533 N/A LEU 203.A N ALA 199.A O no hydrogen 3.127 N/A GLY 206.A N LEU 203.A O no hydrogen 2.982 N/A PHE 207.A N TYR 202.A O no hydrogen 2.895 N/A THR 209.A OG1 GLY 13.A O no hydrogen 2.690 N/A TYR 210.A N THR 209.A OG1 no hydrogen 2.716 N/A SER 211.A N GLY 190.A O no hydrogen 2.991 N/A SER 211.A OG.A GLY 190.A O no hydrogen 3.275 N/A SER 212.A N LEU 15.A O no hydrogen 3.145 N/A SER 212.A OG GLU 196.A OE2 no hydrogen 2.653 N/A PHE 215.A N SER 212.A O no hydrogen 3.123 N/A PHE 215.A N SER 212.A OG no hydrogen 3.286 N/A ASN 216.A N ALA 213.A O no hydrogen 3.074 N/A ASN 216.A ND2 PHE 17.A O no hydrogen 2.926 N/A ASN 216.A ND2 ALA 213.A O no hydrogen 2.973 N/A PHE 217.A N VAL 214.A O no hydrogen 2.914 N/A VAL 218.A N VAL 214.A O no hydrogen 2.871 N/A ALA 222.A N VAL 218.A O no hydrogen 2.959 N/A ASN 223.A N PRO 219.A O no hydrogen 2.824 N/A ASN 223.A ND2 TYR 43.A O no hydrogen 3.042 N/A GLU 224.A N GLY 220.A O no hydrogen 3.073 N/A PHE 225.A N LEU 221.A O no hydrogen 2.966 N/A TYR 226.A N ALA 222.A O no hydrogen 2.999 N/A TYR 226.A OH THR 208.A O no hydrogen 3.123 N/A ALA 227.A N ASN 223.A O no hydrogen 2.897 N/A ALA 228.A N GLU 224.A O no hydrogen 2.980 N/A LEU 229.A N PHE 225.A O no hydrogen 2.841 N/A ARG 230.A N TYR 226.A O no hydrogen 3.006 N/A ARG 230.A NH1 TYR 226.A OH no hydrogen 2.947 N/A ALA 231.A N ALA 227.A O no hydrogen 2.964 N/A GLY 232.A N LEU 229.A O no hydrogen 3.219 N/A GLU 233.A N ALA 228.A O no hydrogen 2.889 N/A ARG 234.A N GLY 232.A O no hydrogen 3.008 N/A THR 236.A N GLU 233.A O no hydrogen 3.138 N/A CYS 237.A N GLU 233.A O no hydrogen 3.171 N/A CYS 237.A SG PHE 225.A O no hydrogen 3.924 N/A CYS 237.A SG GLU 233.A O no hydrogen 3.787 N/A GLU 238.A N ARG 234.A O no hydrogen 2.841 N/A ARG 239.A N ALA 235.A O no hydrogen 2.981 N/A ILE 240.A N THR 236.A O no hydrogen 3.144 N/A LEU 241.A N CYS 237.A O no hydrogen 2.911 N/A VAL 242.A N GLU 238.A O no hydrogen 2.913 N/A ASP 243.A N ARG 239.A O no hydrogen 2.851 N/A PHE 244.A N ILE 240.A O no hydrogen 2.886 N/A PHE 245.A N ILE 240.A O no hydrogen 3.155 N/A TYR 246.A N LEU 241.A O no hydrogen 2.829 N/A PHE 248.A N PHE 244.A O no hydrogen 2.900 N/A MET 249.A N PHE 245.A O no hydrogen 2.816 N/A ALA 250.A N TYR 246.A O no hydrogen 3.023 N/A ILE 251.A N PRO 247.A O no hydrogen 3.370 N/A ARG 252.A N PHE 248.A O no hydrogen 2.872 N/A ARG 252.A NH1 THR 194.A OG1 no hydrogen 2.942 N/A ARG 252.A NH2 ASN 253.A OD1 no hydrogen 3.111 N/A ASN 253.A N MET 249.A O no hydrogen 2.824 N/A ARG 254.A N ILE 251.A O no hydrogen 3.111 N/A ARG 254.A NE GLU 288.A OE2 no hydrogen 2.746 N/A TYR 258.A N ALA 255.A O no hydrogen 3.325 N/A TYR 258.A OH GLU 288.A OE1 no hydrogen 2.674 N/A VAL 260.A N GLY 257.A O no hydrogen 3.049 N/A SER 261.A N GLY 257.A O no hydrogen 3.098 N/A SER 261.A OG GLY 257.A O no hydrogen 3.358 N/A SER 261.A OG LYS 282.A O no hydrogen 2.705 N/A ALA 262.A N TYR 258.A O no hydrogen 2.864 N/A LYS 264.A N VAL 260.A O no hydrogen 3.038 N/A LYS 264.A NZ THR 20.A O no hydrogen 2.827 N/A LYS 264.A NZ GLU 56.A OE2 no hydrogen 2.727 N/A LYS 264.A NZ PRO 276.A O no hydrogen 2.890 N/A ALA 265.A N SER 261.A O no hydrogen 2.961 N/A GLY 266.A N ALA 262.A O no hydrogen 2.989 N/A VAL 267.A N VAL 263.A O no hydrogen 3.072 N/A ARG 268.A N LYS 264.A O no hydrogen 3.078 N/A ARG 268.A NH1 GLY 275.A O no hydrogen 2.870 N/A ARG 268.A NH1 ASP 283.A OD1 no hydrogen 2.916 N/A LEU 269.A N ALA 265.A O no hydrogen 2.921 N/A GLN 270.A N GLY 266.A O no hydrogen 3.107 N/A GLN 270.A N VAL 267.A O no hydrogen 3.131 N/A GLN 270.A NE2 PHE 217.A O no hydrogen 2.865 N/A GLN 270.A NE2 HIS 299.A O no hydrogen 3.087 N/A GLY 271.A N ARG 268.A O no hydrogen 2.950 N/A PHE 272.A N VAL 267.A O no hydrogen 3.288 N/A ALA 274.A N PHE 272.A O no hydrogen 2.881 N/A VAL 277.A N ASP 283.A OD2 no hydrogen 3.029 N/A ARG 278.A N GLU 56.A OE1 no hydrogen 2.905 N/A ARG 278.A NE GLY 26.A O no hydrogen 2.997 N/A ARG 278.A NH1 SER 59.A O no hydrogen 2.845 N/A ARG 278.A NH1 GLU 64.A OE1 no hydrogen 2.890 N/A ARG 278.A NH2 GLY 26.A O no hydrogen 2.773 N/A ARG 278.A NH2 GLU 64.A OE2 no hydrogen 2.859 N/A LEU 281.A N ARG 278.A O no hydrogen 3.073 N/A THR 285.A N GLU 288.A OE1 no hydrogen 2.963 N/A GLU 288.A N THR 285.A OG1 no hydrogen 3.069 N/A ILE 289.A N THR 285.A O no hydrogen 2.855 N/A GLY 290.A N ASN 286.A O no hydrogen 2.981 N/A MET 291.A N GLU 287.A O no hydrogen 3.067 N/A LEU 292.A N GLU 288.A O no hydrogen 2.988 N/A GLU 293.A N ILE 289.A O no hydrogen 2.855 N/A ALA 294.A N GLY 290.A O no hydrogen 2.994 N/A LEU 295.A N MET 291.A O no hydrogen 3.037 N/A ILE 296.A N LEU 292.A O no hydrogen 2.908 N/A GLY 297.A N GLU 293.A O no hydrogen 3.151 N/A HIS 299.A N ILE 296.A O no hydrogen 2.810 N/A LYS 300.A N GLY 297.A O no hydrogen 3.170 N/A ARG 301.A N GLN 270.A OE1 no hydrogen 2.837 N/A ARG 301.A NH1 GLN 270.A O no hydrogen 2.916 N/A